Compound Detail
CHEMBL4078514
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Basic Information
| ChEMBL ID | CHEMBL4078514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZXOPPSZLQCAPX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
3.40
ALogP
6
HBA
2
HBD
105.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 2 CHEMBL4398 | Kd | 4.4 | 4.4 | 39810.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 2 | Kd | = | 39810.72 | nM | 4.4 | Antagonist activity at human P2Y2R expressed in human Jurkat cells assessed as i... | 28958619 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28958619 | 10.1016/j.bmcl.2017.09.043 | P2Y purinoceptor 2 | 1 |
Data from ChEMBL 36 via Core Engine